N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,5-dimethylphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,5-dimethylphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(3,5-dimethylphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(3,5-dimethylphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(3,5-dimethylphenyl)acetamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=CC3=C(C=C2)OCCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=CC3=C(C=C2)OCCO3)C

InChI

InChI=1S/C21H22N2O3S/c1-15-10-16(2)12-17(11-15)23(7-3-6-22)21(24)14-27-18-4-5-19-20(13-18)26-9-8-25-19/h4-5,10-13H,3,7-9,14H2,1-2H3